CFam Chemical Families Database
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You are searching for "CFAMM00407718" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00407718
Family CFFBM11240 Mu-type opioid receptor and Kappa-type opioid receptor ligand (E)-N-[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]-3-(3-nitrophenyl)prop-2-enamide family
Superfamily CFSAD816 Nalfurafine Hcl Superfamily
Class CFCAD66 Class 66
External ID CHEMBL417535 External Source CHEMBL
PubChem CID 10256020 Functional Category Bioactive
Molecule Name (E)-N-[(4R,4aS,7R,7aR)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]-3-(4-nitrophenyl)prop-2-enamide
IUPAC Name (E)-N-[(4R,4aS,7R,7aR)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]-3-(4-nitrophenyl)prop-2-enamide
Synonyms CHEBI:171887
InChi InChI=1S/C29H31N3O6/c33-22-9-6-19-15-23-29(35)12-11-21(30-24(34)10-5-17-3-7-20(8-4-17)32(36)37)27-28(29,25(19)26(22)38-27)13-14-31(23)16-18-1-2-18/h3-10,18,21,23,27,33,35H,1-2,11-16H2,(H,30,34)/b10-5+/t21-,23-,27+,28?,29-/m1/s1
InChiKey XSKHBVUTYWENGE-VPJFHMJASA-N
Formula C29H31N3O6 Molecular Weight 517.57
Cross Link CHEMBL417535
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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